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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Dark Energy Survey Deep Field photometric redshift performance and training incompleteness assessment

Context. The determination of accurate photometric redshifts (photo-zs) in large imaging galaxy surveys is key for cosmological studies. One of the most common approaches are machine learning techniques. These methods require a spectroscopic or reference sample to train the algorithms. Attention has to be paid to the quality and properties of these samples since they are key factors in the estimation of reliable photo-zs. Aims. The goal of this work is to calculate the photo-zs for the Y3 DES Deep Fields catalogue using the DNF machine learning algorithm. Moreover, we want to develop techniques to assess the incompleteness of the training sample and metrics to study how incompleteness affects the quality of photometric redshifts. Finally, we are interested in comparing the performance obtained with respect to the EAzY template fitting approach on Y3 DES Deep Fields catalogue. Methods. We have emulated -- at brighter magnitude -- the training incompleteness with a spectroscopic sample whose redshifts are known to have a measurable view of the problem. We have used a principal component analysis to graphically assess incompleteness and to relate it with the performance parameters provided by DNF. Finally, we have applied the results about the incompleteness to the photo-z computation on Y3 DES Deep Fields with DNF and estimated its performance. Results. The photo-zs for the galaxies on DES Deep Fields have been computed with the DNF algorithm and added to the Y3 DES Deep Fields catalogue. They are available at https://des.ncsa.illinois.edu/releases/y3a2/Y3deepfields. Some techniques have been developed to evaluate the performance in the absence of "true" redshift and to assess completeness. We have studied... (Partial abstract)

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Particle Filter Based Inference Testing

The primary intent of PAR-FIT (Particle Filter based Inference Testing) is to provide hard inductive evidence that a machine learning model is capable and proven for an individual test input. By examining training data used to form the underlying model functional correlation, an estimate of the reliability that a model will make the correct prediction can be made. The Sequential Probability Ratio Test is used to derive a qualitative evaluation for reliability based on hypothesis testing. The PAR-FIT framework achieves this by implementing a particle filter and the sequential probability ratio test algorithms on the machine learning model training data to determine relevancy of new individual test samples to the training dataset. The kernel function evaluates the local proximity and density of training data used to derive a prediction outcome. Particles are used to probabilistically determine which training data to evaluate for proximity. For test samples that are within a close proximity to and surrounded by multiple training data points, the evaluated reliability of the prediction is high. For test samples that are anomalies not represented by the training dataset, in low density data clusters, or are far from existing data points, the evaluated reliability is low as insufficient training evidence exists to suggest the model is capable of making the correct prediction. Sequential Probability Ratio Test is further used to determine when a hypothesis on whether a signal can be rejected or accepted for use. The ratio test collects sequence information from the particle filter to test whether the signal is anomalous or normal via hypothesis testing of the underlying distributions.

Chen, Edward [Idaho National Laboratory (INL), Ida↗
DOE OSTI2026

RADAI: A Large-Scale Realistic Dataset for Radiation Detection Algorithm Development

Open, realistic datasets are essential for developing and benchmarking radiation detection algorithms, yet they remain scarce. The Radiological Anomaly Detection and Identification (RADAI) project was develop to create datasets that meet the training and testing needs for sophisticated radiation detection algorithms. The RADAI dataset is a large-scale synthetic resource that integrates high-fidelity Monte Carlo simulations with realistic urban scenarios to capture both background variability and source signatures. RADAI models construction-material NORM, people and vehicles, urban clutter, and dynamic environmental effects such as cosmic-ray and rain-induced transients, and they provide list-mode detector data with motion and response modeling suitable for algorithm training and evaluation. The RADAI project resulted in three publicly-released complementary datasets together with an online scoring portal for standardized performance assessment and an open software toolkit that supports data access, augmentation, model development, and evaluation. These resources enable reproducible comparisons across methods and promote rigorous studies at the scale required by contemporary machine learning. By grounding algorithm development in realistic, well-documented conditions, RADAI supports progress toward more robust detection, identification, and localization in complex urban environments.

Ghawaly, James M. [Division of Computer Science an↗
NASA NTRSDate not supplied

NASA’s Prototype Spectral Water Inversion Processor and Emulator (SWIPE): Towards Global Coastal and Inland Water Quality and Algal Biodiversity Monitoring

Degradation of Earth’s inland water resources due to anthropogenic perturbations and climate anomalies at both local and global scales continues to place human health at substantial risk. There is now a growing necessity to develop pragmatic approaches that allow timely and effective extrapolation of local processes, to spatially resolved global products, and to promote operational and sustainable resource policy management. This presentation will provide updates on NASA’s prototype open-source aquatic modeling platform, Spectral Water Inversion Processor and Emulator (SWIPE), which is a comprehensive, multi-faceted modeling platform for both forward and inverse modeling of diverse aquatic ecosystems from the benthos to top-of-atmosphere (TOA). SWIPE provides a cohesive application which leverages recent advancements in particle modeling, Big Data analytics, and machine learning to develop a high-fidelity synthetic training ground for sensitivity studies and algorithm development for multispectral or upcoming hyperspectral missions. Some of the prominent features of SWIPE to be discussed include: 1. Advanced hyperspectral modeling of globally diverse algal and non-algal particles using a novel two-layer coated sphere scattering model and radiative transfer modeling, 2. Massive, highly detailed synthetic spectral libraries of Analysis-Ready-Data (ARD) which include spectral libraries of particle microphysics, water biogeophysical and optical properties, as well as surface and TOA reflectances at 1 nm resolution, 3. An ensemble of pre-built analytic, machine learning, and deep learning inversion algorithms for various water quality and biodiversity related retrieval parameters and uncertainty quantification, 4. Sensor-agnostic water quality inversion at wide ranging spatial and spectral resolutions including a codebase for seamless application in the Google Earth Engine and NASA Earth Exchange (NEX) for planetary scale analysis. SWIPE will be a fully open-source platform based in python with comprehensive documentation, tutorials, and options for distributed computing on high performance computing clusters or on single, local machines. Further, we will discuss how we envision SWIPE contributing towards a global analysis of coastal and inland water quality dynamics.

top-of-atmosphere (TOA)↗
DOE OSTI2024

HLS4ML Integration with QICK

The QICK (Quantum Instrumentation Control Kit) integration aims to enhance the readout of superconducting qubits by leveraging machine learning (ML) techniques. These techniques offer high accuracy, increased speed, and better state preservation for qubit readouts. The integration process employs neural network algorithms to optimize system performance and achieve high accuracy rates. The QICK board uses an FPGA, allowing for efficient real-time processing and high-performance execution of machine learning algorithms.

Ali, Mohamud↗
NASA NTRS2013

Scatter-Reducing Sounding Filtration Using a Genetic Algorithm and Mean Monthly Standard Deviation

Retrieval algorithms like that used by the Orbiting Carbon Observatory (OCO)-2 mission generate massive quantities of data of varying quality and reliability. A computationally efficient, simple method of labeling problematic datapoints or predicting soundings that will fail is required for basic operation, given that only 6% of the retrieved data may be operationally processed. This method automatically obtains a filter designed to reduce scatter based on a small number of input features. Most machine-learning filter construction algorithms attempt to predict error in the CO2 value. By using a surrogate goal of Mean Monthly STDEV, the goal is to reduce the retrieved CO2 scatter rather than solving the harder problem of reducing CO2 error. This lends itself to improved interpretability and performance. This software reduces the scatter of retrieved CO2 values globally based on a minimum number of input features. It can be used as a prefilter to reduce the number of soundings requested, or as a post-filter to label data quality. The use of the MMS (Mean Monthly Standard deviation) provides a much cleaner, clearer filter than the standard ABS(CO2-truth) metrics previously employed by competitor methods. The software's main strength lies in a clearer (i.e., fewer features required) filter that more efficiently reduces scatter in retrieved CO2 rather than focusing on the more complex (and easily removed) bias issues.

Mandrake, Lukas↗
NASA NTRS2022

Exploring Applications of Machine Learning for Wildfire Monitoring and Detection using Unmanned Aerial Vehicles

Wildfires are increasing in frequency and severity around the world, including the United States. The losses caused by wildfires could be mitigated if high-risk areas, hotspots, and flare-ups could be monitored continuously, such as through the use of Unmanned Aerial Vehicles (UAVs). This paper documents exploratory efforts using machine learning to determine efficient flight paths for UAVs and to detect wildfires using image classification. On path planning, three machine learning techniques—Genetic Algorithm, Simulated Annealing, and Dynamic Programming—were explored. Genetic Algorithm was found to be an effective approach for path planning for wildfire monitoring and surveillance by UAVs. For a scenario of 25 locations in a circular arrangement, the algorithm was able to return the optimal path. The accuracy and execution time was found to be sensitive to the algorithm hyperparameters selected, which was especially evident in scenarios with hundreds or thousands of locations. Simulated Annealing was also found to be an effective approach for UAV path planning, with a major benefit of avoiding getting trapped in local minima and being straightforward to implement. Like Genetic Algorithm, the performance of Simulated Annealing was also found to be sensitive to the algorithm hyperparameters selected. By comparison, Dynamic Programming guarantees optimality for any number of locations, but it was found to be less practical in terms of execution time for scenarios with more than about a couple dozen locations. On wildfire detection, image classification using deep learning with a convolutional neural network was explored. Transfer learning was found to be a useful technique to efficiently train deep learning models. Also, it was determined that GPU processing can increase training speed by an order of magnitude, which enables significantly faster development. For a validation test set of 500 images, there were only two false negatives and zero false positives. These results demonstrate that detecting wildfires in static cameras using machine learning is feasible and establish a baseline for using images captured by UAVs in flight for wildfire detection.

Wildfire management↗
NASA NTRSDate not supplied

Classifying Agnostic Biosignatures using Raman, VNIR, and Elemental Data

How can we use our current wealth of terrestrial data, encompassing biogenic and abiogenic systems, to determine the distinguishing properties of life? SCOBI (Statistical Classification of Biosignature Information) uses machine learning techniques to algorithmically identify combinations of measurements that are “indicative of life”. A set of ~1000 observations, comprising elemental abundance, isotopic fractionation, VNIR reflectance, and (in progress) Raman spectra, have been assembled from existing literature and databases. The observations cover systems classified as “indicative alive” (e.g., cells, vegetation), “indicative non-alive” (e.g., fossils, teeth), “mixed indicative” (e.g., soil, pond water), or “non-indicative” (e.g., rocks, meteorites). VNIR data was preprocessed by linear interpolation from 400-2100 nm and smoothed with a Savitzky-Golay filter. To limit the amount of Earth-biochemistry-specific (non-agnostic) information included, the first five spectral features extracted were number of peaks, number of troughs, mean reflectance, mean peak width, and broadest peak width. To help further emphasize agnostic biosignatures, Earth-specific features such as chlorophylls have been manually flagged so that feature importance with and without them can be compared. Classifiers including k-nearest neighbors (KNN), Gaussian Naïve Bayes (GNB), logistic regression (LR), random forest (RF), and support vector machine (SVM) were implemented, as was a combination voting classifier. Performance metrics included false positive rates, false negative rates, and AUC with 50-50 test/train splits (Monte Carlo simulations). Key takeaways from this stage, prior to the inclusion of Raman spectra, are (1) the overall success rate of 0.933 AUC was most heavily influenced by the elemental abundance data; and (2) VNIR reflectance had the lowest classification performance with 0.52 AUC (58% of objects correctly classified). The next steps are to complete integration of Raman spectral data and to improve the approach to pre-processing and feature extraction for both types of spectral data, such as automated baseline removal, whole spectrum matching, and dimensionality reduction.

Biosignatures↗
NASA NTRSDate not supplied

Nearest-Neighbor Machine Learning Feature Selection for Interpretation of Microbial Molecular Signatures from Isotope Ratio Mass Spectrometry Data

Mass spectrometry (MS) promises to be a powerful tool for potential biosignature detection during astrobiological missions on ocean worlds in our solar system. Accurate and generalizable machine learning methods could enhance science return on investment by predicting seawater chemistry and classifying isotopic biosignatures, either as a signature consistent with microbial life (biotic) or as a novelty (unclassified/unique). However, machine learning models are likely to be complex and involve interactions between MS features, making biosignatures difficult to interpret. Feature selection methods provide biological and chemical context that help interpret the mechanisms of machine learning models, but these methods also need the ability to detect complex interactions. Previously, we developed a machine learning feature selection algorithm called nearest-neighbor projected distance regression (NPDR) that has the ability to identify important model features that involve complex interactions and automatically reduce correlation and the dimensionality in a high-dimensional variable space. The standard distance metrics used in NPDR – Manhattan and Euclidean – assume the multivariate data are isotropic, which is often violated in real data due to differences in the covariance between variables. Thus, we extend NPDR to include a random forest distance, and other anisotropic distance metrics, for computing nearest neighbors. We also augment the isotope-ratio MS data with time-series features from the raw MS signal to improve biotic classification. We test NPDR on our novel experimental ocean world seawater analog MS data. We measure isotope fractionations of volatile CO 2 that could be measured in exospheres or plumes. Samples include baseline abiotic conditions using a range of possible seawater chemistry consistent with Europa and Enceladus, and biotic samples that include microbes in these seawaters. We use penalized NPDR with random forest proximity to identify interpretable microbial molecular signatures. We compare features with random forest importance, and we train a classifier that discriminates between biotic and abiotic samples with high accuracy. These ML-trained ocean-world analog MS data could be used to assist in identifying biosignatures during future missions.

geochemistry↗
NASA NTRSDate not supplied

Transient Optimization of an Electrified Gas Turbine Engine Using Machine Learning

Gas turbine engines are designed with sufficient margin to prevent stall under normal operating conditions throughout their life. This compromise ensures that during rapid accelerations, compressor operation remains stable, but at the cost of efficiency and thrust responsiveness. The design margin encompasses multiple sources of uncertainty and systematic deviances from the operating line, the largest of which is the transient allowance. This set-aside accounts for the temporary incoordination of the engine spools during an acceleration while still enabling it to meet the certification requirement to accelerate from low to high power within a specified time, and without experiencing overtemperature, surge, stall, or other detrimental factors. Electrification of the powertrain provides the opportunity to address this reserve and truly optimize the design. The addition of electric machines inherent in hybrid propulsion concepts offers a means to interact with the engine shafts such that the necessary margin can be reduced, which can positively impact the engine design. By adjusting the amount of power extracted from or injected to the engine spools by the electric machines during transient operation, excursions from the operating line can be minimized. Past work using a dynamic engine model has shown that optimization of the fuel flow schedule during acceleration can reduce the required margin while still meeting the time requirement, and results are further improved when combined with power injection and extraction. The current work uses machine learning through a genetic algorithm to address the problem holistically by concurrently optimizing the electric machine power command and fuel flow acceleration schedule using an updated, higher fidelity version of the original engine model.

Stall Margin↗
NASA NTRSDate not supplied

Transient Optimization of an Electrified Gas Turbine Engine Using Machine Learning

Gas turbine engines are designed with sufficient margin to prevent stall under normal operating conditions throughout their life. This compromise ensures that during rapid accelerations, compressor operation remains stable, but at the cost of efficiency and thrust responsiveness. The design margin encompasses multiple sources of uncertainty and systematic deviances from the operating line, the largest of which is the transient allowance. This set-aside accounts for the temporary incoordination of the engine spools during an acceleration while still enabling it to meet the certification requirement to accelerate from low to high power within a specified time, and without experiencing overtemperature, surge, stall, or other detrimental factors. Electrification of the powertrain provides the opportunity to address this reserve and truly optimize the design. The addition of electric machines inherent in hybrid propulsion concepts offers a means to interact with the engine shafts such that the necessary margin can be reduced, which can positively impact the engine design. By adjusting the amount of power extracted from or injected to the engine spools by the electric machines during transient operation, excursions from the operating line can be minimized. Past work using a dynamic engine model has shown that optimization of the fuel flow schedule during acceleration can reduce the required margin while still meeting the time requirement, and results are further improved when combined with power injection and extraction. The current work uses machine learning through a genetic algorithm to address the problem holistically by concurrently optimizing the electric machine power command and fuel flow acceleration schedule using an updated, higher fidelity version of the original engine model.

Stall Margin↗
NASA NTRS2024

Transient Optimization of an Electrified Gas Turbine Engine Using Machine Learning

Gas turbine engines are designed with sufficient margin to prevent stall under normal operating conditions throughout their life. This compromise ensures that during rapid accelerations, compressor operation remains stable, but at the cost of efficiency and thrust responsiveness. The design margin encompasses multiple sources of uncertainty and systematic deviances from the operating line, the largest of which is the transient allowance. This set-aside accounts for the temporary incoordination of the engine spools during an acceleration while still enabling it to meet the certification requirement to accelerate from low to high power within a specified time, and without experiencing overtemperature, surge, stall, or other detrimental factors. Electrification of the powertrain provides the opportunity to address this reserve and truly optimize the design. The addition of electric machines inherent in hybrid propulsion concepts offers a means to interact with the engine shafts such that the necessary margin can be reduced, which can positively impact the engine design. By adjusting the amount of power extracted from or injected to the engine spools by the electric machines during transient operation, excursions from the operating line can be minimized. Past work using a dynamic engine model has shown that optimization of the fuel flow schedule during acceleration can reduce the required margin while still meeting the time requirement, and results are further improved when combined with power injection and extraction. The current work uses machine learning through a genetic algorithm to address the problem holistically by concurrently optimizing the electric machine power command and fuel flow acceleration schedule using an updated, higher fidelity version of the original engine model.

Stall Margin↗
DOE OSTI2024

PAIReD jet: A multi-pronged resonance tagging strategy across all Lorentz boosts

We propose a new approach of jet-based event reconstruction that aims to optimally exploit correlations between the products of a hadronic multi-pronged decay across all Lorentz boost regimes. The new approach utilizes clustered small-radius jets as seeds to define unconventional jets, referred to as PAIReD jets. The constituents of these jets are subsequently used as inputs to machine learning-based algorithms to identify the flavor content of the jet. We demonstrate that this approach achieves higher efficiencies in the reconstruction of signal events containing heavy-flavor jets compared to other event reconstruction strategies at all Lorentz boost regimes. Classifiers trained on PAIReD jets also have significantly better background rejections compared to those based on traditional event reconstruction approaches using small-radius jets at low Lorentz boost regimes. The combined effect of a higher signal reconstruction efficiency and better classification performance results in a two to four times stronger rejection of light-flavor jets compared to conventional strategies at low Lorentz-boosts, and rejection rates similar to classifiers based on large-radius multi-pronged jets at high Lorentz-boost regimes.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Finding the Pareto front for high-entropy-alloy catalysts

Finding catalysts that have both high activity and high stability presents a long-standing challenge. Since optimizing activity and stability are conflicting objectives, the best one can do is find the Pareto front that yields optimal tradeoffs between these features. On the Pareto front, there is a trade-off where a portion of catalytic activity must be sacrificed to gain further stability and vice versa . Here, we provide a method to optimize the front by designing a multi-objective genetic algorithm that combines machine learning, graph neural network calculations, and density functional calculations. The application considered is the oxygen evolution reaction catalyzed by high-entropy alloys. We find that the Pareto front generally contains alloys with diverse elements, but that enhancing stability inevitably inflicts a toll on activity. We compare the general conclusions of our work to a survey of 545 experiments.

Zhang, Chengyi [Univ. of Auckland (New Zealand)]↗
DOE OSTI2025

Prediction of vacancy defect diffusion paths in high entropy alloys via machine learning on molecular dynamics data

Identifying the diffusion path of point defects is a critical step in understanding their evolution and the mechanisms of related phenomena. Defect diffusion occurs at small length and time scales, with impacts on material properties that may continue to evolve over ns to μs, ms, and the continuum scale (s, min, etc., and cm, m, etc.). The time scale accessible to molecular dynamics (MD) simulations is limited by small step sizes, typically in the fs range. Thus, surrogate models of MD simulations through machine learning (ML)-based algorithms are of great interest, especially for complex systems such as high entropy alloys (HEAs). In this work, dynamics governing vacancy migration in HEA were approximated with graph convolutional network (GCN) models as ansatzes for kinetic Monte Carlo (KMC) rate catalogs. Network design considered that diffusion in crystalline solids generally depends on interactions between defects and their immediate neighbor atoms. Graphs represented the vacancy surroundings, MD-generated trajectories provided training and comparison datasets, and unsupervised GCN models approximated interatomic dynamics governing vacancy migration in HEAs as ansatzes for KMC. A proof-of-concept model trained on MD data for the Fe, Ni, Cr, Co, and Cu HEA environment was used with two different neighbor interactions to assess the feasibility of training a GCN to predict vacancy defect transition rates in the HEA environment. The resulting setup rapidly generated MD-formatted synthetic trajectories based on dynamics learned from the MD training set, with a time acceleration of roughly two orders of magnitude and a similar diffusion coefficient to MD observations. Additionally, Nudged Elastic Band (NEB) calculations were performed on randomly generated FeNiCrCoCu HEA structures to determine vacancy migration barriers across nearest-neighbor sites. Transition probabilities for each jump, categorized by atomic type, were extracted from these calculations. NEB-based and GCN-based approaches led to similar outcomes.

Reimer, C↗
DOE OSTI2025

Unified architecture for quantum lookup tables

Quantum access to arbitrary classical data encoded in unitary black-box oracles underlies interesting data-intensive quantum algorithms, such as machine learning or electronic structure simulation. The feasibility of these applications depends crucially on gate-efficient implementations of these oracles, which are commonly some reversible versions of the Boolean circuit for a classical lookup table. Here, we present a general parametrized architecture for quantum circuits implementing a lookup table that encompasses all prior work in realizing a continuum of optimal trade-offs between qubits, non-Clifford gates, and error resilience, up to logarithmic factors. Our architecture assumes only local 2D connectivity, yet recovers results, with the appropriate parameters, polylogarithmic error scaling. We also identify regimes, such as simultaneous sublinear scaling, in all parameters. These results enable tailoring implementations of the commonly used lookup table primitive to any given quantum device with constrained resources.

quantum circuits↗